Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 4/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20414725 | 0.84 | SHBG (0.47) | SHBGNQO2PTGS1PTGS2ESR1 | |
| SCHEMBL18600 | 0.84 | SHBG (0.53) | SHBGNQO2PTGS1PTGS2ESR1 | |
| SCHEMBL247685 | 0.84 | SHBG (0.53) | SHBGNQO2PTGS1PTGS2ESR1 | |
| SCHEMBL18139 | 0.84 | SHBG (0.53) | SHBGPTGS1ESR1ESR2 | |
| SCHEMBL11245198 | 0.83 | SHBG (0.35) | SHBG | |
| SCHEMBL6157069 | 0.81 | SHBG (0.50) | SHBGPTGS1ESR1ESR2 | |
| Phloroglucinol SCHEMBL28432567 | 0.80 | SHBG (0.49) | SHBGNQO2PTGS1PTGS2ESR1 | |
| SCHEMBL29113544 | 0.80 | SHBG (0.41) | SHBGPTGS1ESR1ESR2 | |
| SCHEMBL26035535 | 0.79 | SHBG (0.47) | SHBGNQO2PTGS1PTGS2ESR1 | |
| SCHEMBL9473539 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855390-B1 | Optical data carriers and method for producing the same | BAYER AKTIENGESELLSCHAFT (DE) | 2005-02-15 | — | — | US | disclosed |
| US-4328174-A | DIMENSIONAL HEAT STABILITY | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-04 | — | — | US | disclosed |